2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoic acid

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoic acid Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoic acid CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoic acid IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoic acid Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]butyric acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3S/c1-3-11(15(21)22)23-16-18-12-9-7-5-6-8-10(9)17-13(12)14(20)19(16)4-2/h5-8,11,17H,3-4H2,1-2H3,(H,21,22)